| SpectraBase Spectrum ID |
AmFbrwQ3ua5 |
| Name |
Succinic acid, isobutyl 3-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-12(2)10-19-15(17)7-8-16(18)20-11-14-6-4-5-13(3)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3 |
| InChIKey |
VIYKYDQMVCWAPE-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(OC(=O)CCC(OCC(C)C)=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923574 |
